7-azanyl-1,2,3-trimethoxy-10-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one hydrochloride

Systemtic Name: 7-azanyl-1,2,3-trimethoxy-10-oxidanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one hydrochloride Openeye Name: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one hydrochloride CAS Name: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one hydrochloride IUPAC Name: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one hydrochloride Traditional Name: 7-amino-10-hydroxy-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one hydrochloride Formula: C19H22ClNO5 MolecularWeight: 379.83468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)N)OC)OC.Cl

Isomeric SMILES

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)O)N)OC)OC.Cl

InChI

InChI=1S/C19H21NO5.ClH/c1-23-16-8-10-4-6-13(20)12-9-15(22)14(21)7-5-11(12)17(10)19(25-3)18(16)24-2;/h5,7-9,13H,4,6,20H2,1-3H3,(H,21,22);1H